SCHEMBL22777972

SCHEMBL22777972

Nc1ccc2c(F)c[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.50
HTR2A P28223 3/20 0.47
ASH1L Q9NR48 1/20 0.43
CLK1 P49759 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
KIF11 P52732 1/20 0.42
GPR84 Q9NQS5 2/20 0.40
PARP1 P09874 1/20 0.40
MPO P05164 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HTR2C P28335 1/20 0.40
AR P10275 1/20 0.39
HTR1A P08908 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKCI P41743 1/20 0.38
TDO2 P48775 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL27089995 0.98 IMPDH2 (0.49) IMPDH2HTR2AASH1LCLK1CDK5
SCHEMBL15554430 0.83 MPO (0.47) HTR2ACLK1GPR84MPOTRPM8
SCHEMBL8268448 0.75 HTR2A (0.56) HTR2AKIF11GPR84KMT2ATDO2
SCHEMBL29714442 0.75 CYP2A6 (0.55) IMPDH2HTR2ACLK1CDK5CDK5R1
SCHEMBL22777931 0.75 CYP2A6 (0.55) IMPDH2HTR2ACLK1CDK5CDK5R1
SCHEMBL5269899 0.75 IMPDH2 (0.50) IMPDH2HTR2AASH1LCLK1CDK5
SCHEMBL28181335 0.75 IMPDH2 (0.51) IMPDH2HTR2AASH1LCLK1CDK5
SCHEMBL395010 0.75 ATM (0.52) IMPDH2HTR2AASH1LCLK1CDK5
SCHEMBL13537216 0.75 IMPDH2 (0.50) IMPDH2ASH1LCLK1CDK5CDK5R1
SCHEMBL3312070 0.75 PARP1 (0.49) HTR2APARP1AR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024263860-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-12-26 WO disclosed
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 IMPDH2 1809/4885HTR2A 2028/4885ASH1L 3532/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.